Information card for entry 8101068

Structure parameters

• Formula: C17 H12 N2 O3
• Calculated formula: C17 H12 N2 O3
• SMILES: C1(=O)Oc2c(ccc(c2)C(=O)c2ccccc2)N1CCC#N
• Title of publication: Crystal structure of 6-benzoyl-2-benzoxazolinone-3-propionitril, C~17~H~12~N~2~O~3~
• Authors of publication: Aydın, Abdullah; Arıcı, Cengiz; Önkol, Tijen; Akkoc, Yasemin; Sahin, M. Fethi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 527 - 528
• a: 10.6605 ± 0.0012 Å
• b: 7.201 ± 0.0011 Å
• c: 18.6507 ± 0.0013 Å
• α: 90°
• β: 95.347 ± 0.002°
• γ: 90°
• Cell volume: 1425.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No